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L-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-3-[(2-hydroxypropyl)sulfonyl]-, phenylmethyl ester, (S)-
SpectraBase Compound ID IiBw5VDdQV8
InChI InChI=1S/C18H27NO7S/c1-13(20)11-27(23,24)12-15(19-17(22)26-18(2,3)4)16(21)25-10-14-8-6-5-7-9-14/h5-9,13,15,20H,10-12H2,1-4H3,(H,19,22)/t13?,15-/m0/s1
InChIKey INKGJPGSAAPTTL-WUJWULDRSA-N
Mol Weight 401.47 g/mol
Molecular Formula C18H27NO7S
Exact Mass 401.150823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HYmRGar7VMV
Name L-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-3-[(2-hydroxypropyl)sulfonyl]-, phenylmethyl ester, (S)-
CAS Registry Number 111087-09-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H27NO7S
InChI InChI=1S/C18H27NO7S/c1-13(20)11-27(23,24)12-15(19-17(22)26-18(2,3)4)16(21)25-10-14-8-6-5-7-9-14/h5-9,13,15,20H,10-12H2,1-4H3,(H,19,22)/t13?,15-/m0/s1
InChIKey INKGJPGSAAPTTL-WUJWULDRSA-N
Molecular Weight 401.474 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@@](CS(CC(O)C)(=O)=O)(C(OCc1ccccc1)=O)[H]
SPLASH splash10-0006-9000000000-1fd7d665757b7e9a8971
Source of Spectrum J-53-536-0
Synonyms benzyl (2R)-2-[(tert-butoxycarbonyl)amino]-3-[(2-hydroxypropyl)sulfonyl]propanoate Benzyl N-[(t-butyloxy)carbonyl]-S-(2-hydroxypropyl)cysteine S,S-dioxide
Wiley ID 1369909